2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

C12H13Cl2NO3 — CID 56688699

IUPAC2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2cc(O)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C12H13Cl2NO3/c1-12(2)6-18-15(11(12)17)5-7-3-10(16)9(14)4-8(7)13/h3-4,16H,5-6H2,1-2H3
InChIKeyRMOSHMUNCBVLBF-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.00
Rot. Bonds2

About 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 56688699) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID56688699
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2cc(O)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C12H13Cl2NO3/c1-12(2)6-18-15(11(12)17)5-7-3-10(16)9(14)4-8(7)13/h3-4,16H,5-6H2,1-2H3
InChIKeyRMOSHMUNCBVLBF-UHFFFAOYSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 56688699) is 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CC1(C)CON(Cc2cc(O)c(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is RMOSHMUNCBVLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-12(2)6-18-15(11(12)17)5-7-3-10(16)9(14)4-8(7)13/h3-4,16H,5-6H2,1-2H3.
What are the key properties of 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 290.15 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 56688699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).